1-(5-bromanylpyridin-2-yl)-2-[2,5-dimethyl-3-(triphenylmethyl)imidazol-3-ium-1-yl]ethanone bromide

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-2-[2,5-dimethyl-3-(triphenylmethyl)imidazol-3-ium-1-yl]ethanone bromide Openeye Name: 1-(5-bromo-2-pyridyl)-2-(2,5-dimethyl-3-trityl-imidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(5-bromo-2-pyridinyl)-2-[2,5-dimethyl-3-(triphenylmethyl)-1-imidazol-3-iumyl]ethanone bromide IUPAC Name: 1-(5-bromopyridin-2-yl)-2-(2,5-dimethyl-3-tritylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(5-bromo-2-pyridyl)-2-(2,5-dimethyl-3-trityl-imidazol-3-ium-1-yl)ethanone bromide Formula: C31H27Br2N3O MolecularWeight: 617.37358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(N1CC(=O)C2=NC=C(C=C2)Br)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=C[N+](=C(N1CC(=O)C2=NC=C(C=C2)Br)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H27BrN3O.BrH/c1-23-21-35(24(2)34(23)22-30(36)29-19-18-28(32)20-33-29)31(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,22H2,1-2H3;1H/q+1;/p-1